tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate

C10H19N3O4 — CID 22418648

IUPACtert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C10H19N3O4/c1-10(2,3)17-9(16)6-13-8(15)5-12-7(14)4-11/h4-6,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyGRUYBDOPERJZCQ-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.48
Rot. Bonds5

About tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate

tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate (PubChem CID 22418648) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
PubChem CID22418648
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Nametert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
SMILESCC(C)(C)OC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C10H19N3O4/c1-10(2,3)17-9(16)6-13-8(15)5-12-7(14)4-11/h4-6,11H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyGRUYBDOPERJZCQ-UHFFFAOYSA-N
XLogP-1.48
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate (CID 22418648) is tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate is CC(C)(C)OC(=O)CNC(=O)CNC(=O)CN.
What is the InChIKey of tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
The InChIKey is GRUYBDOPERJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-10(2,3)17-9(16)6-13-8(15)5-12-7(14)4-11/h4-6,11H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate has a molecular weight of 245.28 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 22418648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).